[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine

C14H21FN2 — CID 83227227

IUPAC[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine
SMILESCCC1CCC(C)N1c1cccc(F)c1CN
InChIInChI=1S/C14H21FN2/c1-3-11-8-7-10(2)17(11)14-6-4-5-13(15)12(14)9-16/h4-6,10-11H,3,7-9,16H2,1-2H3
InChIKeyIYPPJQXPANWKNU-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.05
Rot. Bonds3

About [2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine

[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine (PubChem CID 83227227) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine
PubChem CID83227227
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine
SMILESCCC1CCC(C)N1c1cccc(F)c1CN
InChIInChI=1S/C14H21FN2/c1-3-11-8-7-10(2)17(11)14-6-4-5-13(15)12(14)9-16/h4-6,10-11H,3,7-9,16H2,1-2H3
InChIKeyIYPPJQXPANWKNU-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine?
The IUPAC name of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine (CID 83227227) is [2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine is CCC1CCC(C)N1c1cccc(F)c1CN.
What is the InChIKey of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine?
The InChIKey is IYPPJQXPANWKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-11-8-7-10(2)17(11)14-6-4-5-13(15)12(14)9-16/h4-6,10-11H,3,7-9,16H2,1-2H3.
What are the key properties of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine?
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine is sourced from PubChem (CID 83227227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).